-ISIS-  08251613552D

 30 31  0  0  0  0  0  0  0  0999 V2000
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   -1.7500   -0.2625    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
   -2.6167    0.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2083   -0.2625    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
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   -0.8875    0.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3458    0.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0208   -0.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7875   -1.5125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2667   -2.1208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6167    1.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0708    0.2375    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
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    5.1833   -1.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.1833   -0.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3125   -1.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3083    0.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4542   -1.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0667   -1.7208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5667    0.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7750    2.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0708   -2.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  7  1  0  0  0  0
  5  3  2  0  0  0  0
  6  2  1  0  0  0  0
  7  5  1  0  0  0  0
  8  6  1  0  0  0  0
  9  1  2  0  0  0  0
 10  1  2  0  0  0  0
 11  3  1  0  0  0  0
 12  4  1  0  0  0  0
 13  4  2  0  0  0  0
 14 16  1  0  0  0  0
 15  8  2  0  0  0  0
 16 11  2  0  0  0  0
 17  8  1  0  0  0  0
 18  1  1  0  0  0  0
 19 23  2  0  0  0  0
 20 28  1  0  0  0  0
 21 11  1  0  0  0  0
 22 24  2  0  0  0  0
 23 25  1  0  0  0  0
 24 20  1  0  0  0  0
 25 20  2  0  0  0  0
 26 17  1  0  0  0  0
 27 19  1  0  0  0  0
 28 26  1  0  0  0  0
 29 21  1  0  0  0  0
 30 27  1  0  0  0  0
  7 14  2  0  0  0  0
 22 19  1  0  0  0  0
M  CHG  2   4   1  12  -1
M  END
>  <ID> (STL072017)
STL072017

>  <Rotatable_Bonds> (STL072017)
5

>  <logP> (STL072017)
1.59

>  <PSA> (STL072017)
139.14

>  <H_Donors> (STL072017)
1

>  <H_Acceptors> (STL072017)
7

>  <Number_of_rings> (STL072017)
2

>  <NAME> (STL072017)
N~2~-(2-methoxy-5-nitrophenyl)-N-[2-(4-methoxyphenyl)ethyl]-N~2~-(methylsulfonyl)glycinamide

>  <Mol_Weight> (STL072017)
437.47

>  <Mol_Formula> (STL072017)
C19H23N3O7S

>  <Smiles> (STL072017)
COc1ccc(cc1N(S(=O)(=O)C)CC(=O)NCCc1ccc(cc1)OC)[N+](=O)[O-]

$$$$